11977753 -OEChem-10051722323D 59 64 0 0 0 0 0 0 0999 V2000 4.5552 -2.4504 0.9649 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9362 -0.7956 0.3430 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1186 -0.1982 0.5459 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9358 3.1705 -0.4393 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8243 3.0085 -0.9166 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8259 -2.8067 -0.4728 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0294 0.5989 0.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3820 0.9260 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0793 1.6142 -0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8267 -1.6311 0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2400 -1.3021 0.6805 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6115 2.8978 -0.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5478 -4.1723 -0.6655 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3755 -3.2890 -0.4016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6734 1.4833 -0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8073 2.1964 -0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9514 -1.3496 -0.9626 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5881 -2.7513 0.8994 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1813 2.5528 -0.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5470 -0.2086 0.7376 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1454 -2.1753 -1.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4913 -3.5771 0.6527 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7335 3.9438 -0.6979 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3501 3.7815 -0.6377 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7031 -5.3940 0.2987 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4781 -4.7783 -2.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6141 2.3812 -0.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1662 1.4676 0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8417 -3.4159 -0.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4772 3.1210 -0.9632 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5574 1.3189 0.7807 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3600 2.1207 -0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1501 0.4023 1.6655 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7419 1.9732 0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5349 0.2750 1.7245 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3315 1.0619 0.9021 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2598 0.5484 0.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8493 2.4890 -0.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1402 -0.5428 -1.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -2.9859 1.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8135 0.5122 1.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0397 0.0568 -0.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8765 -1.2050 1.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7993 -1.9352 -2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3555 -4.4256 1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1274 4.9305 -0.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 4.6551 -0.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5887 -5.9902 0.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8317 -5.0738 1.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8364 -6.0631 0.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3221 -5.4523 -2.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5525 -5.3496 -2.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5102 -4.0057 -2.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 0.8736 1.3712 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1387 3.8400 -1.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5362 -0.2196 2.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3880 2.5777 -0.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9892 -0.4350 2.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4130 0.9693 0.9415 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 3 20 1 0 0 0 0 4 12 2 0 0 0 0 4 16 1 0 0 0 0 5 30 2 0 0 0 0 5 32 1 0 0 0 0 6 29 3 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 16 2 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 10 17 2 0 0 0 0 10 18 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 29 1 0 0 0 0 14 21 2 0 0 0 0 14 22 1 0 0 0 0 15 19 2 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 17 21 1 0 0 0 0 17 39 1 0 0 0 0 18 22 2 0 0 0 0 18 40 1 0 0 0 0 19 24 1 0 0 0 0 19 27 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 31 1 0 0 0 0 28 54 1 0 0 0 0 30 55 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 32 34 2 0 0 0 0 33 35 1 0 0 0 0 33 56 1 0 0 0 0 34 36 1 0 0 0 0 34 57 1 0 0 0 0 35 36 2 0 0 0 0 35 58 1 0 0 0 0 36 59 1 0 0 0 0 M END > DB11651 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JOGKUKXHTYWRGZ-UHFFFAOYSA-N/SDF?record_type=3d > CN1C(=O)N(C2=C1C=NC1=CC=C(C=C21)C1=CN=C2C=CC=CC2=C1)C1=CC=C(C=C1)C(C)(C)C#N > InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3 > JOGKUKXHTYWRGZ-UHFFFAOYSA-N > C30H23N5O > 469.548 > 469.190260381 > 4 > 59 > 51.349255800368084 > 1 > 0 > 0 > 0 > 2-methyl-2-{4-[3-methyl-2-oxo-8-(quinolin-3-yl)-1H,2H,3H-imidazo[4,5-c]quinolin-1-yl]phenyl}propanenitrile > 4.65 > 5.650599006666667 > -4.92 > 0 > 6 > 0 > 4.070342493234384 > 73.12 > 138.34539999999998 > 3 > 0 > 5.63e-03 g/l > 2-methyl-2-{4-[3-methyl-2-oxo-8-(quinolin-3-yl)imidazo[4,5-c]quinolin-1-yl]phenyl}propanenitrile > 0 $$$$